4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

C12H8Cl2N4OS — CID 741252

IUPAC4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1
InChIInChI=1S/C12H8Cl2N4OS/c1-18-5-7(14)10(17-18)11(19)16-12-15-8-3-2-6(13)4-9(8)20-12/h2-5H,1H3,(H,15,16,19)
InChIKeyMSGMQQAQFQRZBS-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.59
Rot. Bonds2

About 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 741252) has the molecular formula C12H8Cl2N4OS and a molecular weight of 327.20 g/mol. Its IUPAC name is 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID741252
Molecular FormulaC12H8Cl2N4OS
Molecular Weight327.20 g/mol
Exact Mass325.98
IUPAC Name4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1
InChIInChI=1S/C12H8Cl2N4OS/c1-18-5-7(14)10(17-18)11(19)16-12-15-8-3-2-6(13)4-9(8)20-12/h2-5H,1H3,(H,15,16,19)
InChIKeyMSGMQQAQFQRZBS-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid benzothiazol-2-ylamide
CID 749848
N-(6-chloro-1,3-benzothiazol-2-yl)-1,5-dimethyl-3-pyrazolecarboxamide
CID 2738514
4-chloro-N-{6-nitro-1,3-benzothiazol-2-yl}-1-methyl-1H-pyrazole-3-carboxamide
CID 741250
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 741253
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
CID 2981674
N-(1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 4592878
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-pyrrolecarboxamide
CID 49852540
5-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethylsulfanylpyrimidine-4-carboxamide
CID 1257428
N-(6-fluorobenzo[d]thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25284516
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 25284705
N-(1,3-benzothiazol-2-yl)-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 26251593
N-(2-(1H-pyrazol-1-yl)ethyl)-2,5-dichloro-N-(4-fluorobenzo[d]thiazol-2-yl)thiophene-3-carboxamide
CID 30868514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 741252) is 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1.
What is the InChIKey of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is MSGMQQAQFQRZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4OS/c1-18-5-7(14)10(17-18)11(19)16-12-15-8-3-2-6(13)4-9(8)20-12/h2-5H,1H3,(H,15,16,19).
What are the key properties of 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide?
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 327.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 741252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).